Overview
- Editors:
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Gábor Náray-Szabó
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Chemistry Department, Eotvos Lorand University, Budapest, Hungary
Recent developments in the field honored by the 2013 Nobel Prize in Chemistry
Edited by an academic of international distinction
Complex concepts explained via numerous figures
Includes a recent literature review
Includes supplementary material: sn.pub/extras
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Table of contents (12 chapters)
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Front Matter
Pages i-viii
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- Imre Jákli, András Perczel, Béla Viskolcz, Imre G. Csizmadia
Pages 5-50
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- György G. Ferenczy, Gábor Náray-Szabó
Pages 71-89
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- Oleg Khoruzhii, Oleg Butin, Alexey Illarionov, Igor Leontyev, Mikhail Olevanov, Vladimir Ozrin et al.
Pages 91-134
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- G. Matthias Ullmann, Elisa Bombarda
Pages 135-163
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- Alejandro Giorgetti, Paolo Carloni
Pages 165-174
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- Robin Oliver, Robin A. Richardson, Ben Hanson, Katherine Kendrick, Daniel J. Read, Oliver G. Harlen et al.
Pages 175-197
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- Gábor E. Tusnády, Dániel Kozma
Pages 199-221
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- Petra Rovó, Dóra K. Menyhárd, Gábor Náray-Szabó, András Perczel
Pages 223-248
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- N. F. Brás, N. M. F. S. A. Cerqueira, S. F. Sousa, P. A. Fernandes, M. J. Ramos
Pages 249-286
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- Ákos Tarcsay, György M. Keserű
Pages 287-322
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Back Matter
Pages 323-329
About this book
In this volume, a detailed description of cutting-edge computational methods applied to protein modeling as well as specific applications are presented. Chapters include: the application of Car-Parrinello techniques to enzyme mechanisms, the outline and application of QM/MM methods, polarizable force fields, recent methods of ligand docking, molecular dynamics related to NMR spectroscopy, computer optimization of absorption, distribution, metabolism and excretion extended by toxicity for drugs, enzyme design and bioinformatics applied to protein structure prediction. A keen emphasis is laid on the clear presentation of complex concepts, since the book is primarily aimed at Ph.D. students, who need an insight in up-to-date protein modeling. The inclusion of descriptive, color figures will allow the reader to get a pictorial representation of complicated structural issues.
Editors and Affiliations
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Chemistry Department, Eotvos Lorand University, Budapest, Hungary
Gábor Náray-Szabó
About the editor
Hungarian chemist, professor, member of the Hungarian Academy of Sciences, from 1996 to 1999, Deputy Secretary General. The theoretical chemistry and structural biology renowned researcher. Between 2006 and 2013, was the Director General of the Academy Library.
